Related papers: Two-electron atomic systems. A simple method for c…
We theoretically study the Hilbert space structure of two neighbouring P donor electrons in silicon-based quantum computer architectures. To use electron spins as qubits, a crucial condition is the isolation of the electron spins from their…
An alternative multipole expansion of the correlation term is derived. Modified spherical Bessel type functions which simplify as a summation of multiple orders of basic trigonometric functions are generated from this new method. We use…
Ground-state energies of the one- and two-electron uranium dimers are calculated for internuclear distances in the range D=40--1000 fm and compared with the previous calculations. The generalization of the dual-kinetic-balance approach for…
In this work we present a new method of approximating the continuum wavefunctions with a discrete basis set. This method aims to be at least compatible with other well known methods of the electronic structure theory to describe processes…
The ground state structure of few-electron concentric double quantum rings is investigated within the local spin density approximation. Signatures of inter-ring coupling in the addition energy spectrum are identified and discussed. We show…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
The variational procedure to construct compact and accurate wave functions for three-electron atoms and ions is developed. The procedure is based on the use of six-dimensional gaussoids written in the relative four-body coordinates $r_{12},…
In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…
Relationships are obtained connecting the two-nucleon overlap function of the eigenstates in the (A-2) particle system with the asymptotic behavior of the two-body density matrix for the ground state of the A-particle system.This makes it…
We present a new hybrid method to solve the relativistic Hartree-Fock-Roothan equations where the one- and two-electron radial integrals are evaluated numerically by defining the basis functions on a grid. This procedure reduces the…
We describe a numerical method that simulates the interaction of the helium atom with sequences of femtosecond and attosecond light pulses. The method, which is based on the close-coupling expansion of the electronic configuration space in…
We use a recently developed version of the configuration method for open shells to study electronic structure of erbium and fermium atoms. We calculate excitation energies of odd states connected to the even ground state by electric dipole…
We set up a formalism to calculate the charge form factors of two-neutron halo nuclei with S-wave neutron-core interactions in the framework of the halo effective field theory. The method is applied to some known and suspected halo nuclei.…
Characterizing the correlated behavior of nucleons inside atomic nuclei constitutes a long-standing challenge, both experimentally and theoretically. It has recently been understood that two-particle correlations in the azimuthal…
The study of highly charged electronic and muonic hydrogen-like ions, provides an intriguing way to probe the internal structure of their atomic nuclei. In this work, we use nuclear structure calculations to accurately calculate the…
The renewed Green's function approach to calculating the angular Fock coefficients, $\psi_{k,p}(\alpha,\theta)$ is presented. The final formulas are simplified and specified to be applicable for analytical as well as numerical calculations.…
In this work, we present a new approximate method for obtaining simple wave functions for the ground state of exotic nuclei with a neutron halo. We model the system as a two-cluster structure, treating the core and halo as inert objects.…
We present a method for the calculation of electronic structure of systems that contain tens of thousands of atoms. The method is based on the division of the system into mutually overlapping fragments and the representation of the…
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
Herein, we present analytical solutions for the electronic energy eigenvalues of the hydrogen molecular ion H2+, namely the one-electron two-fixed-center problem. These are given for the homonuclear case for the countable infinity of…